SCHEMBL6045941

SCHEMBL6045941

O=C(NCCc1ccc(C2=NCCN2)cc1)c1cc(NC(=O)c2ccccc2Cl)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.49
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.48
UBE2N P61088 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
F10 P00742 1/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
NISCH Q9Y2I1 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4789049 0.86 BDKRB1 (0.47) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL6045996 0.83 BDKRB1 (0.64) BDKRB1POLBTDP1ALDH1A1NPC1
SCHEMBL6046042 0.83 BDKRB1 (0.52) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL6045946 0.82 BDKRB1 (0.49) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL4705143 0.78 BDKRB1 (0.49) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL4704255 0.78 BDKRB1 (0.48) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL6045883 0.78 BDKRB1 (0.50) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL6045819 0.77 BDKRB1 (0.55) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL4706254 0.74 BDKRB1 (0.46) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL6045912 0.74 BDKRB1 (0.49) BDKRB1POLBKMT2AKDM4ETDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US claimed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 BDKRB1 1/4885POLB 2950/4885KMT2A 2589/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.